(1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate

C13H24N2O2 — CID 166035844

IUPAC(1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate
SMILESCCN1CCCC(C(=O)OC2CCN(C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-3-15-7-4-5-11(9-15)13(16)17-12-6-8-14(2)10-12/h11-12H,3-10H2,1-2H3
InChIKeyGCELYWGHEWJCJK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.97
Rot. Bonds3

About (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate

(1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate (PubChem CID 166035844) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate
PubChem CID166035844
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate
SMILESCCN1CCCC(C(=O)OC2CCN(C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-3-15-7-4-5-11(9-15)13(16)17-12-6-8-14(2)10-12/h11-12H,3-10H2,1-2H3
InChIKeyGCELYWGHEWJCJK-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-methylpiperidine-3-carboxylate
CID 97981
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
Piperidinium, 3-carboxy-1,1-dimethyl-, iodide, ester with choline iodide
CID 3065835
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
Methyl 5-methoxy-1-methylpiperidine-3-carboxylate
CID 13517196
Ethyl 1-ethylpiperidine-3-carboxylate
CID 13905176
Ethyl 1-pentylpiperidine-3-carboxylate
CID 60346059
5-Methyl-5-(morpholin-4-ylmethyl)oxolan-2-one
CID 134967586
2-(1,1-Dimethylpiperidin-1-ium-3-carbonyl)oxyethyl-trimethylazanium
CID 3065836
Ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylate
CID 60911034
Ethyl 1-[2-(trifluoromethoxy)ethyl]piperidine-3-carboxylate
CID 65803517
Methyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylate
CID 78920581

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate?
The IUPAC name of (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate (CID 166035844) is (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate is CCN1CCCC(C(=O)OC2CCN(C)C2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate?
The InChIKey is GCELYWGHEWJCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-15-7-4-5-11(9-15)13(16)17-12-6-8-14(2)10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate?
(1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate is sourced from PubChem (CID 166035844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).